3W23
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2008-11-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.998, 71.899, 129.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.470 - 1.480 |
| R-factor | 0.14603 |
| Rwork | 0.144 |
| R-free | 0.17724 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w1a |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.399 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.103 | 0.434 |
| Number of reflections | 98558 | |
| <I/σ(I)> | 0.069 | 3.04 |
| Completeness [%] | 92.9 | 86.8 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 298 | 0.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
